6-hydroxy-1-(3-methylsulfanylbutyl)-5-propan-2-ylpyrimidine-2,4-dione

C12H20N2O3S — CID 113494336

IUPAC6-hydroxy-1-(3-methylsulfanylbutyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCSC(C)CCn1c(O)c(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N2O3S/c1-7(2)9-10(15)13-12(17)14(11(9)16)6-5-8(3)18-4/h7-8,16H,5-6H2,1-4H3,(H,13,15,17)
InChIKeyNSLPUCWWULVNNR-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.51
Rot. Bonds5

About 6-hydroxy-1-(3-methylsulfanylbutyl)-5-propan-2-ylpyrimidine-2,4-dione

6-hydroxy-1-(3-methylsulfanylbutyl)-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 113494336) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 6-hydroxy-1-(3-methylsulfanylbutyl)-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(3-methylsulfanylbutyl)-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID113494336
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name6-hydroxy-1-(3-methylsulfanylbutyl)-5-propan-2-ylpyrimidine-2,4-dione
SMILESCSC(C)CCn1c(O)c(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N2O3S/c1-7(2)9-10(15)13-12(17)14(11(9)16)6-5-8(3)18-4/h7-8,16H,5-6H2,1-4H3,(H,13,15,17)
InChIKeyNSLPUCWWULVNNR-UHFFFAOYSA-N
XLogP1.51
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-hydroxy-1-(3-methylsulfanylbutyl)-5-propan-2-ylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-hydroxy-5-propan-2-yl-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione
CID 106006139
6-hydroxy-1-(3-methylbut-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 114155514
6-hydroxy-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidine-2,4-dione
CID 106422345
6-amino-5-(3-methylsulfanylbutylamino)-1-propylpyrimidine-2,4-dione
CID 115604164
6-hydroxy-5-methyl-1-(3-phenylbutyl)pyrimidine-2,4-dione
CID 115948134
3-(6-hydroxy-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)-3-methylbutanamide
CID 106098930
6-(3,5-dimethylphenyl)sulfanyl-1-(hydroxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 101098996
6-hydroxy-1-(3-methylbutyl)-5-(2-methylphenyl)pyrimidine-2,4-dione
CID 115946162
5-(2-chlorophenyl)-6-hydroxy-1-(3-methylbutyl)pyrimidine-2,4-dione
CID 115946168
6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione
CID 115948124
6-hydroxy-1-(2-methyl-3-methylsulfanylpropyl)-5-phenylpyrimidine-2,4-dione
CID 115948240
1-(2,3-dihydro-1H-inden-2-yl)-6-hydroxy-5-propan-2-ylpyrimidine-2,4-dione
CID 107851480

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(3-methylsulfanylbutyl)-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(3-methylsulfanylbutyl)-5-propan-2-ylpyrimidine-2,4-dione (CID 113494336) is 6-hydroxy-1-(3-methylsulfanylbutyl)-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(3-methylsulfanylbutyl)-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(3-methylsulfanylbutyl)-5-propan-2-ylpyrimidine-2,4-dione is CSC(C)CCn1c(O)c(C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-1-(3-methylsulfanylbutyl)-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is NSLPUCWWULVNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-7(2)9-10(15)13-12(17)14(11(9)16)6-5-8(3)18-4/h7-8,16H,5-6H2,1-4H3,(H,13,15,17).
What are the key properties of 6-hydroxy-1-(3-methylsulfanylbutyl)-5-propan-2-ylpyrimidine-2,4-dione?
6-hydroxy-1-(3-methylsulfanylbutyl)-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 272.37 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(3-methylsulfanylbutyl)-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 113494336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).